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2,4-Pentadienal, 5,5'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)-
SpectraBase Compound ID 6xHiewLb7mk
InChI InChI=1S/C26H18O2/c27-21-11-1-3-13-23-15-5-7-17-25(23)19-9-10-20-26-18-8-6-16-24(26)14-4-2-12-22-28/h1-8,11-18,21-22H/b11-1-,12-2-,13-3-,14-4-
InChIKey REYUKVXRKVSDSU-JOOBXXHESA-N
Mol Weight 362.43 g/mol
Molecular Formula C26H18O2
Exact Mass 362.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SqmadUlE94
Name 2,4-Pentadienal, 5,5'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)-
CAS Registry Number 107006-36-0
Comments Less than 3 mono-isotopic peaks
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Formula C26H18O2
InChI InChI=1S/C26H18O2/c27-21-11-1-3-13-23-15-5-7-17-25(23)19-9-10-20-26-18-8-6-16-24(26)14-4-2-12-22-28/h1-8,11-18,21-22H/b11-1-,12-2-,13-3-,14-4-
InChIKey REYUKVXRKVSDSU-JOOBXXHESA-N
Molecular Weight 362.428 g/mol
SMILES C(C#Cc1c(\C=C/C=C\C=O)cccc1)#Cc1c(\C=C/C=C\C=O)cccc1
SPLASH splash10-000i-0091000000-c15ef97c164150b33432
Source of Spectrum AJ-59-2214-24
Synonyms (2Z,4Z)-5-[2-(4-{2-[(1Z,3Z)-5-oxo-1,3-pentadienyl]phenyl}-1,3-butadiynyl)phenyl]-2,4-pentadienal 6,7: 12,13-dibenzo-2,4,14,16-octadecatetraene-8,10-diynedial
Wiley ID 1350041